N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide

C12H16BrN3O — CID 82094622

IUPACN-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNCC2)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-9-8-10(2-3-11(9)13)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyMTDUAPJHFNAMIN-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.19
Rot. Bonds1

About N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide

N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide (PubChem CID 82094622) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
PubChem CID82094622
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNCC2)ccc1Br
InChIInChI=1S/C12H16BrN3O/c1-9-8-10(2-3-11(9)13)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyMTDUAPJHFNAMIN-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
N-(4-bromo-3-methylphenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824486
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 171916677
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
CID 165429741
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide (CID 82094622) is N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCNCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MTDUAPJHFNAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9-8-10(2-3-11(9)13)15-12(17)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide?
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 82094622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).